Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEYTYLGRTGLRVSRLCLGTMNFGVDTDEKTAFRIMDEALDNGIQFFDTANIYGWGKNAGLTESIIGKWFAQGGQRREKVVLATKVYEPISDPNDGPNDMRGLSLYKIRRHLEGSLKRLQTDHIELYQMHHIDRRTPWDEIWEAFETQVRSGKVDYIGSSNFAGWHLVKAQAEAEKRRFMGLVTEQHKYSLLERTAEMEVLPAARDLGLGVVAWSPLAGGLLGGKALKSNAGTRTAKRADLIEKHRLQLEKFSDLCKELGEKEANVALAWVLANPVLTAPIIGPRTVEQLRDTIKAVEISLDKEILRMLNDIFPGPGGETPEAYAW 2BP1 Chain:A ((43-237)) -----------------LGTMEMGRRMDAPASAAAVRAFLERGHTELDTAFMYSDGQ----SETILGGLGLGLGGGDCRVKIATK-----ANPWDG----KSLKPDSVRSQLETSLKRLQCPQVDLFYLHAPDHGTPVEETLHACQRLHQEGKFVELGLSNYASWEVAEICTLCKSNGWILPTVYQGMYNATTRQVETELFPCLRHFGLRFYAYNPLAGGLLTGK-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BP1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 940 -80342 -85.47 -412.01 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -85.47 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_2BP1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BP1-query.scw PDB file : Tito_Scwrl_2BP1.pdb: